论文标题

铁纳米簇的尺寸和温度依赖性磁化

Size and temperature dependent magnetization of iron nanoclusters

论文作者

Santos, G. Dos, Aparicio, R., Linares, D., Miranda, E. N., Tranchida, J., Pastor, G. M., Bringa, E. M.

论文摘要

使用距离依赖性的交换相互作用,通过旋转动力学(SD)模拟与分子动力学(MD-SD)耦合的旋转动力学(SD)模拟研究了直径在2到8 nm之间的BCC铁纳米簇的磁性行为。在整个磁化强度以及自由表面和纳米群体的表面/核心比例的影响中,有限大小的效果详细分析了较宽的温度范围,超出了群集和散装的居里温度。比较是通过实验数据和基于适合小群集的平均场Ising模型进行的理论模型进行比较,并考虑到自由表面上低协调的旋转的影响。我们对每个原子M(t)平均磁化的温度依赖性的结果,包括跨国晶格自由度的热化,与对小型Fe纳米群的可用实验测量非常吻合。相反,如果人为地冷冻自由度,则观察到实验的显着差异。发现对M(t)的有限大小影响在群集居里温度附近特别重要。如假设短距离磁顺序(SRMO)所预测的簇尺寸的库丽温度尺度上方的模拟磁化。提出了对磁化的分析近似值作为温度和大小的函数。

The magnetic behavior of bcc iron nanoclusters, with diameters between 2 and 8 nm, is investigated by means of spin dynamics (SD) simulations coupled to molecular dynamics (MD-SD), using a distance-dependent exchange interaction. Finite-size effects in the total magnetization as well as the influence of the free surface and the surface/core proportion of the nanoclusters are analyzed in detail for a wide temperature range, going beyond the cluster and bulk Curie temperatures. Comparison is made with experimental data and with theoretical models based on the mean-field Ising model adapted to small clusters, and taking into account the influence of low coordinated spins at free surfaces. Our results for the temperature dependence of the average magnetization per atom M(T), including the thermalization of the transnational lattice degrees of freedom, are in very good agreement with available experimental measurements on small Fe nanoclusters. In contrast, significant discrepancies with experiment are observed if the translational degrees of freedom are artificially frozen. The finite-size effects on M(T) are found to be particularly important near the cluster Curie temperature. Simulated magnetization above the Curie temperature scales with cluster size as predicted by models assuming short-range magnetic ordering (SRMO). Analytical approximations to the magnetization as a function of temperature and size are proposed.

扫码加入交流群

加入微信交流群

微信交流群二维码

扫码加入学术交流群,获取更多资源